4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile

C15H10N4 — CID 174630636

IUPAC4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2ccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H10N4/c16-10-12-3-5-14(6-4-12)19-9-7-15(18-19)13-2-1-8-17-11-13/h1-9,11H
InChIKeyRXXCSBBIMOQSNT-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.81
Rot. Bonds2

About 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile

4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile (PubChem CID 174630636) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile
PubChem CID174630636
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2ccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H10N4/c16-10-12-3-5-14(6-4-12)19-9-7-15(18-19)13-2-1-8-17-11-13/h1-9,11H
InChIKeyRXXCSBBIMOQSNT-UHFFFAOYSA-N
XLogP2.81
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzonitrile
CID 135066075
3-(1-sulfanylpyrazol-3-yl)pyridine
CID 67474504
3-(1-fluoropyrazol-3-yl)pyridine
CID 174166820
4-(3-formylpyrazol-1-yl)benzonitrile
CID 87787236
4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
CID 67058001
6-[1-(4-methylphenyl)pyrazol-3-yl]pyridine-3-carbonitrile
CID 70253684
3-(4-pyridin-3-yltriazol-1-yl)benzonitrile
CID 46174400
3-(3-pyridin-3-yl-1,2,4-triazol-1-yl)benzonitrile
CID 73212875
4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol
CID 174616550
3-fluoro-5-pyridin-3-ylbenzonitrile
CID 46315568
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064655
2,6-dipyridin-3-ylpyridine
CID 13349632

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile?
The IUPAC name of 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile (CID 174630636) is 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile is N#Cc1ccc(-n2ccc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile?
The InChIKey is RXXCSBBIMOQSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c16-10-12-3-5-14(6-4-12)19-9-7-15(18-19)13-2-1-8-17-11-13/h1-9,11H.
What are the key properties of 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile?
4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 174630636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).